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Acta Physico-Chimica Sinica  2003, Vol. 19 Issue (05): 460-463    DOI: 10.3866/PKU.WHXB20030517
QSAR of [99Tcm(NO)Cl(PL)2] Complexes
Zhang Hua-Bei;Li Bo;Dai Mei
Department of Chemistry, Beijing Normal University, Beijing 100875
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Abstract  The geometries of fifteen [99Tcm(NO)Cl(PL)2]+ complexes were optimized by semi-empirical quantum mechanics method——ZINDO/1 and many physical and chemical descriptors were obtained. Four equations were obtained by the multiple regressions between these drescriptors and heart intial uptake. New uptake mechanism of redox mechanism was revealed when analyzing these equations.

Key wordsZINDO/1      Heart uptake      Uptake mechanism      Redox      QSAR(quantitive structure-activity relationship)     
Received: 02 September 2002      Published: 15 May 2003
Cite this article:

Zhang Hua-Bei;Li Bo;Dai Mei. QSAR of [99Tcm(NO)Cl(PL)2] Complexes. Acta Physico-Chimica Sinica, 2003, 19(05): 460-463.

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